2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid

C16H13ClN2O2 — CID 82871862

IUPAC2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCc1ccc(Cl)cc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C16H13ClN2O2/c1-9-3-5-11(17)8-12(9)15-18-13-7-10(16(20)21)4-6-14(13)19(15)2/h3-8H,1-2H3,(H,20,21)
InChIKeyRKLTVRNCGGDHOP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.90
Rot. Bonds2

About 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid

2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 82871862) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID82871862
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCc1ccc(Cl)cc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C16H13ClN2O2/c1-9-3-5-11(17)8-12(9)15-18-13-7-10(16(20)21)4-6-14(13)19(15)2/h3-8H,1-2H3,(H,20,21)
InChIKeyRKLTVRNCGGDHOP-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid (CID 82871862) is 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid is Cc1ccc(Cl)cc1-c1nc2cc(C(=O)O)ccc2n1C.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is RKLTVRNCGGDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-3-5-11(17)8-12(9)15-18-13-7-10(16(20)21)4-6-14(13)19(15)2/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid?
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82871862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).